2-(2,6-difluorophenyl)-N-[3-(piperazine-1-carbonyl)-4-pyridinyl]-1,3-thiazole-4-carboxamide

C20H17F2N5O2S — CID 177371018

IUPAC2-(2,6-difluorophenyl)-N-[3-(piperazine-1-carbonyl)-4-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccncc1C(=O)N1CCNCC1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C20H17F2N5O2S/c21-13-2-1-3-14(22)17(13)19-26-16(11-30-19)18(28)25-15-4-5-24-10-12(15)20(29)27-8-6-23-7-9-27/h1-5,10-11,23H,6-9H2,(H,24,25,28)
InChIKeyMTFNUVVNIOMESB-UHFFFAOYSA-N
MW429.45 g/mol
LogP2.78
Rot. Bonds4

About 2-(2,6-difluorophenyl)-N-[3-(piperazine-1-carbonyl)-4-pyridinyl]-1,3-thiazole-4-carboxamide

2-(2,6-difluorophenyl)-N-[3-(piperazine-1-carbonyl)-4-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 177371018) has the molecular formula C20H17F2N5O2S and a molecular weight of 429.45 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[3-(piperazine-1-carbonyl)-4-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-[3-(piperazine-1-carbonyl)-4-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID177371018
Molecular FormulaC20H17F2N5O2S
Molecular Weight429.45 g/mol
Exact Mass429.11
IUPAC Name2-(2,6-difluorophenyl)-N-[3-(piperazine-1-carbonyl)-4-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccncc1C(=O)N1CCNCC1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C20H17F2N5O2S/c21-13-2-1-3-14(22)17(13)19-26-16(11-30-19)18(28)25-15-4-5-24-10-12(15)20(29)27-8-6-23-7-9-27/h1-5,10-11,23H,6-9H2,(H,24,25,28)
InChIKeyMTFNUVVNIOMESB-UHFFFAOYSA-N
XLogP2.78
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2,6-difluorophenyl)-N-[3-(piperazine-1-carbonyl)-4-pyridinyl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 51002052
N4-benzyl-2-(3-pyridyl)-1,3-thiazole-4-carboxamide
CID 2824333
4-Amino-6-(4-methylpiperazin-1-yl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10127012
4-Amino-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10171950
7-[(4-Methylpiperazin-1-yl)carbonyl]-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10194805
6-Fluoro-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10308615
7-(Piperidin-1-ylcarbonyl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 22638596
N-[2-(dimethylamino)ethyl]-N-ethyl-2-oxo-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinoline-7-carboxamide
CID 23527337
(S)-5-amino-N-(4-(3-aminopiperidin-1-yl)pyridin-3-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide
CID 44199470
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 44217530
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 44217683
N-[4-[(1R,3S)-3-aminocyclohexyl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 59455685

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-[3-(piperazine-1-carbonyl)-4-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-[3-(piperazine-1-carbonyl)-4-pyridinyl]-1,3-thiazole-4-carboxamide (CID 177371018) is 2-(2,6-difluorophenyl)-N-[3-(piperazine-1-carbonyl)-4-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-[3-(piperazine-1-carbonyl)-4-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-[3-(piperazine-1-carbonyl)-4-pyridinyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccncc1C(=O)N1CCNCC1)c1csc(-c2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-[3-(piperazine-1-carbonyl)-4-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is MTFNUVVNIOMESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O2S/c21-13-2-1-3-14(22)17(13)19-26-16(11-30-19)18(28)25-15-4-5-24-10-12(15)20(29)27-8-6-23-7-9-27/h1-5,10-11,23H,6-9H2,(H,24,25,28).
What are the key properties of 2-(2,6-difluorophenyl)-N-[3-(piperazine-1-carbonyl)-4-pyridinyl]-1,3-thiazole-4-carboxamide?
2-(2,6-difluorophenyl)-N-[3-(piperazine-1-carbonyl)-4-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 429.45 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-[3-(piperazine-1-carbonyl)-4-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 177371018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).